Codeinone

Names

[ CAS No. ]:
467-13-0

[ Name ]:
Codeinone

[Synonym ]:
hydrocodone
(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
(5α)-3-Methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one
6-Oxocodeine
EINECS 207-386-1
Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5α)-
dihydrocodeine
6-Codeinone

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
466.9±45.0 °C at 760 mmHg

[ Melting Point ]:
182-183ºC

[ Molecular Formula ]:
C18H19NO3

[ Molecular Weight ]:
297.348

[ Flash Point ]:
236.1±28.7 °C

[ Exact Mass ]:
297.136505

[ PSA ]:
38.77000

[ LogP ]:
1.33

[ Vapour Pressure ]:
0.0±1.2 mmHg at 25°C

[ Index of Refraction ]:
1.657

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QD2169000
CHEMICAL NAME :
Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-
CAS REGISTRY NUMBER :
467-13-0
BEILSTEIN REFERENCE NO. :
0094188
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H19-N-O3
MOLECULAR WEIGHT :
297.38

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
11 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 16(Suppl),68T,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 16(Suppl),68T,1964

Safety Information

[ Risk Phrases ]:
R22

[ RIDADR ]:
UN 2811 6.1 / PGIII

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (-)-codeine
  • thebaine
  • Aluminium isopropoxide
  • sodium carbonate
  • N-[2-[(3aR,9RS,9bS)-3a,8,9,9a-tetrahydro-9-(methanesulfonyloxy)-5-methoxy-3-oxo-9b-phenanthro[4,5-bcd]furanyl]ethyl]-N-methyl-2,4-dinitrobenzenesulfonamide
  • Oxalyl chloride
  • Triethylamine
  • codeine hydrochloride
  • 2-(2,2'-Bithiophen-5-yl)quinoline-4-carboxylic acid

DownStream

  • 14-Hydroxy Codeinone
  • D-(-)-Morphine
  • Hydrocodone
  • 6-O-Acetyl Codeine
  • (-)-codeine
  • Dibenz[d,f]indol-2(5H)-one,3,4,6,7,7a,8- hexahydro-12-hydroxy-11-methoxy-7- methyl-,(4aS,7aR)-
  • 2-Methylaminoethanol
  • acetic acid,6-methoxyphenanthrene-3,5-diol
  • 7,8-epoxydihydrocodeinone

Related Compounds

  • Bromocodeinone
  • Codeinone 7,8-oxide
  • 14-Hydroxy Codeinone
  • 14-Heptoyloxycodeinone
  • Acetylhydroxycodeinone
  • Methyldihydrocodeinone
  • (4-(6-Bromobenzo[d]thiazol-2-yl)piperazin-1-yl)(3-nitrophenyl)methanone
  • (4-(6-Nitrobenzo[d]thiazol-2-yl)piperazin-1-yl)(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
  • Cyclohexyl(4-(5,7-dimethylbenzo[d]thiazol-2-yl)piperazin-1-yl)methanone
  • 2-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-5-(2-oxo-2-(piperidin-1-yl)ethoxy)-4H-pyran-4-one
  • 2-((6-((2-methylindolin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-phenylacetamide
  • 2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)-N-(m-tolyl)acetamide
  • 2-((6-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-(4-nitrophenyl)acetamide
  • N-(2-methoxyethyl)-2-((6-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetamide
  • N-(5-acetyl-4-methylthiazol-2-yl)-2-(4-fluorophenylsulfonamido)benzamide
  • 3-(2-(4-Fluorophenylsulfonamido)benzamido)benzofuran-2-carboxamide
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